1V4K

Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima S77F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 4 2 2
Unit cell lengths	151.828, 151.828, 64.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.450
Rwork	0.211
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v4e
RMSD bond length	0.005
RMSD bond angle	1.163
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.053	0.486
Total number of observations	123482 *
Number of reflections	13817
<I/σ(I)>	35.9	2.9
Completeness [%]	96.8	82
Redundancy	8.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Na+Hepes, lithium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Triton X-100	0.1 (%)
3	1	reservoir	sodium HEPES	0.1 (M)	pH7.5
4	1	reservoir		1.5 (M)